Zephirol Related Compound 5

Product Information

Molecular Formula:
C19H42BrN
Molecular Weight:
364.45
Description
Cetrimonium Bromide is a known component of the broad-spectrum antiseptic cetrimide, which is a mixture of different quaternary ammonium salts.
Synonyms
CTAB; Cetrimonium bromide; NSC 32927; NSC-32927; NSC32927
IUPAC Name
hexadecyl(trimethyl)azanium;bromide
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChI Key
LZZYPRNAOMGNLH-UHFFFAOYSA-M
Melting Point
238-241 °C (dec.)
Flash Point
244°C
Purity
>98%
Solubility
Freely soluble in Chloroform, Ethanol (95%), Water; Practically insoluble in Ether
Appearance
White Solid
Application
Anti-Infective Agents, Local
Storage
Store at -20°C under inert atmosphere
Stability
Stable. Incompatible with strong oxidizing agents. Protect from moisture.

Safety Information

Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H341:
Suspected of causing genetic defects.
H361:
Suspected of damaging fertility or the unborn child.
H370:
Causes damage to organs.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P201:
Obtain special instructions before use.
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P308+P311:
If exposed or concerned:
Call a POISON CENTER or doctor/physician.
P391:
Collect spillage.

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
15
Exact Mass
363.25006 g/mol
Monoisotopic Mass
363.25006 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
181
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-11020349-B1 Transmucosal dosage forms of remdesivir 2020-07-14
US-10786597-B1 Methods of producing an osteoinductive calcium phosphate material for bone grafting 2020-03-24
US-11047007-B1 Polynucleotides for amplification and detection of SARS-CoV-2 2020-03-23
US-10980756-B1 Methods of treatment 2020-03-16
US-10874687-B1 Highly active compounds against COVID-19 2020-02-27
US-10869845-B1 Ephedrine compositions and methods 2020-01-22
US-10974225-B1 Metal oxide coated ceramic corrugated plate catalyst, preparation and application in preparation of key intermediates of citral 2020-01-17
US-10745281-B1 Composition for multi-component composite intercalation, method of preparing a low-temperature expandable graphite system and method of profile control and water shutoff in deep oil reservoir 2020-01-14
US-2021047256-A1 Method for degrading perfluorinated compounds 2020-01-14
WO-2020081850-A9 Bandage\e-tattoo combination 2019-12-30

Literatures

PMID Publication Date Title Journal
23792315 2013-08-01 Synthesis, self-aggregation and biological properties of alkylphosphocholine and alkylphosphohomocholine derivatives of cetyltrimethylammonium bromide, cetylpyridinium bromide, benzalkonium bromide (C16) and benzethonium chloride European journal of medicinal chemistry
23571415 2013-06-01 Structure-based identification of OATP1B1/3 inhibitors Molecular pharmacology
23062962 2013-01-01 Selective nanodecoration of modified cyclodextrin crystals with gold nanorods Journal of colloid and interface science
23022612 2012-12-01 Optical detection of NADH based on biocatalytic growth of Au-Ag core-shell nanoparticles Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
23079128 2012-12-01 Control filamentous bulking caused by chlorine-resistant Type 021N bacteria through adding a biocide CTAB Water research
23109107 2012-12-01 How to control the recombinant prion protein adhesion for successful storage through modification of surface properties Biointerphases
22977883 2012-11-07 Gold nanorods as surface enhanced Raman spectroscopy substrates for sensitive and selective detection of ultra-low levels of dithiocarbamate pesticides The Analyst
23003680 2012-11-05 Interactions of microbicide nanoparticles with a simulated vaginal fluid Molecular pharmaceutics
22552877 2012-11-01 An improved CTAB-ammonium acetate method for total RNA isolation from cotton Phytochemical analysis : PCA
23065669 2012-11-01 Post separation adjustment of pH to enable the analysis of aminoglycoside antibiotics by microchip electrophoresis with amperometric detection Electrophoresis
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Inquiry Basket